From da0b9f10810d3c7958276518e8a913b99ca19c1b Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Tue, 4 Feb 2025 03:49:36 +0000 Subject: [PATCH 1/7] Bump executorlib from 0.0.10 to 0.1.0 Bumps [executorlib](https://github.com/pyiron/executorlib) from 0.0.10 to 0.1.0. - [Release notes](https://github.com/pyiron/executorlib/releases) - [Commits](https://github.com/pyiron/executorlib/compare/executorlib-0.0.10...executorlib-0.1.0) --- updated-dependencies: - dependency-name: executorlib dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index b34f2596..706554b8 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -25,7 +25,7 @@ classifiers = [ ] dependencies = [ "mpi4py==4.0.1", - "executorlib==0.0.10", + "executorlib==0.1.0", "numpy==1.26.4", ] dynamic = ["version"] From 423fcd311d376919c9b544f041ce2c3a8180cca7 Mon Sep 17 00:00:00 2001 From: "github-actions[bot]" <41898282+github-actions[bot]@users.noreply.github.com> Date: Tue, 4 Feb 2025 03:49:51 +0000 Subject: [PATCH 2/7] [dependabot skip] Update environment --- .ci_support/environment-mpich.yml | 2 +- .ci_support/environment-openmpi.yml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/.ci_support/environment-mpich.yml b/.ci_support/environment-mpich.yml index d01839bc..5af927b5 100644 --- a/.ci_support/environment-mpich.yml +++ b/.ci_support/environment-mpich.yml @@ -6,6 +6,6 @@ dependencies: - mpich =4.2.3 - numpy =1.26.4 - mpi4py =4.0.1 -- executorlib =0.0.10 +- executorlib =0.1.0 - ase =3.24.0 - scipy =1.15.1 diff --git a/.ci_support/environment-openmpi.yml b/.ci_support/environment-openmpi.yml index e81cc43d..7f082bf3 100644 --- a/.ci_support/environment-openmpi.yml +++ b/.ci_support/environment-openmpi.yml @@ -6,6 +6,6 @@ dependencies: - openmpi =5.0.5 - numpy =1.26.4 - mpi4py =4.0.1 -- executorlib =0.0.10 +- executorlib =0.1.0 - ase =3.24.0 - scipy =1.15.1 From acf9f19bc07a46fe39080ede0c51a1e7c64419c3 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Tue, 4 Feb 2025 18:46:24 +0100 Subject: [PATCH 3/7] Update test_executor.py --- tests/test_executor.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/test_executor.py b/tests/test_executor.py index 0ff657f3..8d9a9b97 100644 --- a/tests/test_executor.py +++ b/tests/test_executor.py @@ -1,6 +1,6 @@ import unittest from ase.build import bulk -from executorlib import Executor +from executorlib import SingleNodeExecutor from executorlib.standalone.serialize import cloudpickle_register from pylammpsmpi import LammpsASELibrary @@ -38,7 +38,7 @@ def calc_lmp(structure): class TestWithExecutor(unittest.TestCase): def test_executor(self): - with Executor(max_cores=2, backend="local", hostname_localhost=True) as exe: + with SingleNodeExecutor(max_workers=2, backend="local", hostname_localhost=True) as exe: cloudpickle_register(ind=1) future = exe.submit(calc_lmp, bulk("Al", cubic=True).repeat([2, 2, 2])) energy = future.result() From 28625e585ed937a3637c85389f946db79d5cc85c Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Tue, 4 Feb 2025 17:47:40 +0000 Subject: [PATCH 4/7] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- tests/test_executor.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/tests/test_executor.py b/tests/test_executor.py index 8d9a9b97..25b0cceb 100644 --- a/tests/test_executor.py +++ b/tests/test_executor.py @@ -38,7 +38,9 @@ def calc_lmp(structure): class TestWithExecutor(unittest.TestCase): def test_executor(self): - with SingleNodeExecutor(max_workers=2, backend="local", hostname_localhost=True) as exe: + with SingleNodeExecutor( + max_workers=2, backend="local", hostname_localhost=True + ) as exe: cloudpickle_register(ind=1) future = exe.submit(calc_lmp, bulk("Al", cubic=True).repeat([2, 2, 2])) energy = future.result() From b7019724a6d4fd1c9f7e746d436d2eb7e2157a53 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Tue, 4 Feb 2025 18:48:17 +0100 Subject: [PATCH 5/7] Update test_executor.py --- tests/test_executor.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/test_executor.py b/tests/test_executor.py index 25b0cceb..867a27fe 100644 --- a/tests/test_executor.py +++ b/tests/test_executor.py @@ -39,7 +39,7 @@ def calc_lmp(structure): class TestWithExecutor(unittest.TestCase): def test_executor(self): with SingleNodeExecutor( - max_workers=2, backend="local", hostname_localhost=True + max_workers=2, hostname_localhost=True ) as exe: cloudpickle_register(ind=1) future = exe.submit(calc_lmp, bulk("Al", cubic=True).repeat([2, 2, 2])) From 9d748b85d265ba190a3c6ce9993d92c80a5c8a87 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Tue, 4 Feb 2025 17:48:32 +0000 Subject: [PATCH 6/7] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- tests/test_executor.py | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/tests/test_executor.py b/tests/test_executor.py index 867a27fe..9aaccd8a 100644 --- a/tests/test_executor.py +++ b/tests/test_executor.py @@ -38,9 +38,7 @@ def calc_lmp(structure): class TestWithExecutor(unittest.TestCase): def test_executor(self): - with SingleNodeExecutor( - max_workers=2, hostname_localhost=True - ) as exe: + with SingleNodeExecutor(max_workers=2, hostname_localhost=True) as exe: cloudpickle_register(ind=1) future = exe.submit(calc_lmp, bulk("Al", cubic=True).repeat([2, 2, 2])) energy = future.result() From 26531d0807a4b456011e236dba8f50755df67b45 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Tue, 4 Feb 2025 18:51:31 +0100 Subject: [PATCH 7/7] Update environment-old.yml --- .ci_support/environment-old.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment-old.yml b/.ci_support/environment-old.yml index 2b7037a8..1d326c21 100644 --- a/.ci_support/environment-old.yml +++ b/.ci_support/environment-old.yml @@ -5,6 +5,6 @@ dependencies: - openmpi - numpy =1.23.5 - mpi4py =3.1.4 -- executorlib =0.0.5 +- executorlib =0.1.0 - ase =3.23.0 - scipy =1.9.3